4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one
fo-1c3c2c4a40d7772a
Identity
- Type
- Neutral molecule
- CAS
- 1698-53-9
- EC
- 216-917-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
10- 1-Phenyl-4,5-dichloro-6-pyridazinone
- 1-Phenyl-4,5-dichloro-6-pyridazone
- 2-Phenyl-4,5-dichloro-3(2H)-pyridazinone
- 2-Phenyl-4,5-dichloro-3-pyridazinone
- 3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-
- 4,5-Dichloro-1-phenyl-6-pyridazone
- 4,5-Dichloro-1-phenylpyridazin-6(1H)-one
- 4,5-Dichloro-1-phenylpyridazin-6-one
- 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone
- 4,5-Dichloro-2-phenylpyridazin-3-one
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VKWCOHVAHQOJGU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H |
| IUPAC name chemrof:IUPAC_name | 4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one |
| Molecular formula chemrof:molecular_formula | C10H6Cl2N2O |
| Molecular mass chemrof:molecular_mass | 241.077 |
| Monoisotopic mass chemrof:monoisotopic_mass | 239.985718 |
| SMILES string chemrof:smiles_string | O=c1c(Cl)c(Cl)cnn1-c1ccccc1 |
Known URLs
11Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 43890202-81c0-4f0f-b1f4-24eaa8d79280 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a1100a70-82a4-40e0-bc68-bbd1b52712f1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fd26dbf9-48f3-4095-a968-8b505ba6d574 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d94d7806-f53d-43db-8919-ae10812f2b4d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 247e972d-fb94-4c5b-9e8e-55e72edffadc | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d3173e8e-83ef-46fd-a77c-4ed5faca6bab | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 04882ead-10e1-4c1e-b9f7-534639a210aa | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| adc52ef9-6782-4ea0-9749-70cc15c0c0ad | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 037197dd-8a68-48a6-a58b-3af890905289 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7d143abc-2e10-4580-95ff-80912f1f2a69 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5baae74b-f717-4d40-81b2-826f2520ba4f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3979180a-d5f6-469e-b410-cab65371116c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 91c6bb95-b23f-4b4f-8115-512aaf6995d6 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-1c3c2c4a40d7772a",
"prefLabel": [
{
"@value": "4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Phenyl-4,5-dichloro-6-pyridazinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Phenyl-4,5-dichloro-6-pyridazone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Phenyl-4,5-dichloro-3(2H)-pyridazinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Phenyl-4,5-dichloro-3-pyridazinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,5-Dichloro-1-phenyl-6-pyridazone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,5-Dichloro-1-phenylpyridazin-6(1H)-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,5-Dichloro-1-phenylpyridazin-6-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,5-Dichloro-2-phenyl-3(2H)-pyridazinone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,5-Dichloro-2-phenylpyridazin-3-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1698-53-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H6Cl2N2O"
],
"attested_by": {
"C10H6Cl2N2O": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VKWCOHVAHQOJGU-UHFFFAOYSA-N"
],
"attested_by": {
"VKWCOHVAHQOJGU-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
],
"attested_by": {
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one"
]
},
"attested_by": {
"4,5-dichloro-2,3-dihydro-2-phenylpyridazin-3-one": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
241.077
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
],
"attested_by": {
"241.077": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
239.985718
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=c1c(Cl)c(Cl)cnn1-c1ccccc1"
]
}
],
"attested_by": {
"239.985718": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.774D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.015.379",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1698-53-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60168751",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=224369",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=642642",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N78AH78WRV",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/72813",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1698-53-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=016435",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL610198",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q83038373",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:72813;CAS:1698-53-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1698-53-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "037197dd-8a68-48a6-a58b-3af890905289",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"1698-53-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1698-53-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"216-917-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=216-917-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}